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3,4-Dimethoxy-N-(3-phthalimidopropionyl)-dl-phenylalanine

View entire compound with spectra: 1 NMR

3,4-Dimethoxy-N-(3-phthalimidopropionyl)-dl-phenylalanine
SpectraBase Compound ID 1Q4nVwZOLu9
InChI InChI=1S/C22H22N2O7/c1-30-17-8-7-13(12-18(17)31-2)11-16(22(28)29)23-19(25)9-10-24-20(26)14-5-3-4-6-15(14)21(24)27/h3-8,12,16H,9-11H2,1-2H3,(H,23,25)(H,28,29)
InChIKey NEUXWADUZYQACL-UHFFFAOYSA-N
Mol Weight 426.43 g/mol
Molecular Formula C22H22N2O7
Exact Mass 426.142701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DMOv540KNv7
Name 3,4-Dimethoxy-N-(3-phthalimidopropionyl)-dl-phenylalanine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.142701049 u
Formula C22H22N2O7
InChI InChI=1S/C22H22N2O7/c1-30-17-8-7-13(12-18(17)31-2)11-16(22(28)29)23-19(25)9-10-24-20(26)14-5-3-4-6-15(14)21(24)27/h3-8,12,16H,9-11H2,1-2H3,(H,23,25)(H,28,29)
InChIKey NEUXWADUZYQACL-UHFFFAOYSA-N
Molecular Weight 426.425 g/mol
SMILES C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(NC(C(=O)O)CC1=CC(=C(C=C1)OC)OC)=O